2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione

C22H14N2O2 — CID 3586113

IUPAC2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione
SMILESCc1nc2c(n1-c1ccc3ccccc3c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H14N2O2/c1-13-23-19-20(22(26)18-9-5-4-8-17(18)21(19)25)24(13)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,1H3
InChIKeyOMLNFPLMNGDFJS-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.11
Rot. Bonds1

About 2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione

2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione (PubChem CID 3586113) has the molecular formula C22H14N2O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione.

Molecular Properties

Compound Name2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione
PubChem CID3586113
Molecular FormulaC22H14N2O2
Molecular Weight338.37 g/mol
Exact Mass338.11
IUPAC Name2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione
SMILESCc1nc2c(n1-c1ccc3ccccc3c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H14N2O2/c1-13-23-19-20(22(26)18-9-5-4-8-17(18)21(19)25)24(13)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,1H3
InChIKeyOMLNFPLMNGDFJS-UHFFFAOYSA-N
XLogP4.11
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione?
The IUPAC name of 2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione (CID 3586113) is 2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione.
What is the SMILES notation for 2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione?
The canonical SMILES for 2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione is Cc1nc2c(n1-c1ccc3ccccc3c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione?
The InChIKey is OMLNFPLMNGDFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2/c1-13-23-19-20(22(26)18-9-5-4-8-17(18)21(19)25)24(13)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,1H3.
What are the key properties of 2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione?
2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione has a molecular weight of 338.37 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione is sourced from PubChem (CID 3586113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).